[ CAS No. 72816-14-9 ] {[proInfo.proName]}

Name: 72816-14-9|5-Amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile|95%
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SKU: A101306
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Quality Control of [ 72816-14-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 72816-14-9 ]

Product Details of [ 72816-14-9 ]

CAS No. :	72816-14-9	MDL No. :	MFCD00128357
Formula :	C₉H₇N₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GFILBPUBXBGRHW-UHFFFAOYSA-N
M.W :	185.19	Pubchem ID :	12709883
Synonyms :

Calculated chemistry of [ 72816-14-9 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.48
TPSA :	80.52 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.67
Log Po/w (XLOGP3) :	1.08
Log Po/w (WLOGP) :	0.73
Log Po/w (MLOGP) :	0.17
Log Po/w (SILICOS-IT) :	0.22
Consensus Log Po/w :	0.77

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.18
Solubility :	1.21 mg/ml ; 0.00655 mol/l
Class :	Soluble
Log S (Ali) :	-2.36
Solubility :	0.803 mg/ml ; 0.00434 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.28
Solubility :	0.965 mg/ml ; 0.00521 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.37

Safety of [ 72816-14-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 72816-14-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 72816-14-9 ]
Downstream synthetic route of [ 72816-14-9 ]

[ 72816-14-9 ] Synthesis Path-Upstream 1~1

1
[ 4930-98-7 ]
[ 123-06-8 ]
[ 72816-14-9 ]

Yield	Reaction Conditions	Operation in experiment
85%	With triethylamine In ethanol for 3.5 h; Heating / reflux	To 2-hydrazinopyridine (3.00 g, 27.5 [MMOL)] in 50 mL of ethanol was added 2- (ethoxymethylene) malononitrile (3.37 g, 27.5 [MMOL)] and triethylamine (3.8 [ML,] 27.5 [MMOL).] Mixture was [REFLUXED] of ca. 3.5 h. After cooling to RT the resulting solids were collected to give the product as a white solid (4.33 g, 85 percent). 'H NMR (DMSO) 8 8.46 [(DD,] [1] H), 8.11 (brs, 2H), 8.01 (m, 1 H), 7.88 (s, [1] H), 7.84 (d, [1] H), 7.35 (m, [1 H)] ppm. b

Reference： [1] Patent: WO2004/9597, 2004, A2, . Location in patent: Page 21
[2] European Journal of Organic Chemistry, 2018, vol. 2018, # 13, p. 1514 - 1524
[3] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 9, p. 2121 - 2125
[4] Organic and Biomolecular Chemistry, 2007, vol. 5, # 17, p. 2758 - 2761
[5] Patent: US2007/161662, 2007, A1,
[6] Patent: EP2264105, 2010, A1, . Location in patent: Page/Page column 165
[7] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 7, p. 1732 - 1737
[8] Journal of Enzyme Inhibition and Medicinal Chemistry, 2019, vol. 34, # 1, p. 87 - 96

[ 72816-14-9 ] Synthesis Path-Downstream 1~21

1
[ 60100-09-6 ]
[ 72816-14-9 ]
[ 78657-43-9 ]

Reference： [1]Archiv der Pharmazie,1981,vol. 314,p. 394 - 398

3
[ 4930-98-7 ]
[ 123-06-8 ]
[ 72816-14-9 ]

Yield	Reaction Conditions	Operation in experiment
85%	With triethylamine; In ethanol; for 3.5h;Heating / reflux;	To 2-hydrazinopyridine (3.00 g, 27.5 [MMOL)] in 50 mL of ethanol was added 2- (ethoxymethylene) malononitrile (3.37 g, 27.5 [MMOL)] and triethylamine (3.8 [ML,] 27.5 [MMOL).] Mixture was [REFLUXED] of ca. 3.5 h. After cooling to RT the resulting solids were collected to give the product as a white solid (4.33 g, 85 %). 'H NMR (DMSO) 8 8.46 [(DD,] [1] H), 8.11 (brs, 2H), 8.01 (m, 1 H), 7.88 (s, [1] H), 7.84 (d, [1] H), 7.35 (m, [1 H)] ppm. b
	With triethylamine;	EXAMPLE 14A 5-Amino-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile In analogy to the preparation of Example 10A, 2.3 g (46.6% of theory) of the desired product are obtained starting from 3.0 g (26.7 mmol, 97% purity) of 2-hydrazinopyridine, 3.26 g (26.7 mmol) of ethoxymethylenemalononitrile and 7.4 ml (53.3 mmol) of triethylamine. m.p.: 193 C. MS (ESI pos): m/z=186 (M+H)+ 1H-NMR (300 MHz, DMSO-d6): δ=7.35 (m, 1H), 7.8-8.12 (m, 3H), 8.15 (s, 2H), 8.5 (m, 1H) ppm.
	In ethanol; at 20℃; for 3h;Reflux;	(4) Synthesis of compound E: To a suspension of 5 g of Compound (D) (manufactured by Wako Pure Chemical Industries, Ltd.) and 25 mL of ethanol was gradually added 5.9 g of ethoxymethylenemalononitrile (manufactured by ALDRICH) at room temperature. Then, an internal temperature was elevated to 60C, and the mixture was refluxed for 3.0 hours, cooled to room temperature, and filtered, followed by washing with 100 mL of isopropyl alcohol. The resulting crystals were dried at room temperature for 8 hours to obtain 7.1 g of Compound (E). (1H-NMR(DMSO-d6), δ value TMS standard: 7.32 to 7.40(1H, m), 7.80 to 7.90(2H, m), 7.98 to 8.08(1H, t), 8.07 to 8.18(2H, brs), 8.45 to 8.53(1H, t))

Reference： [1]Patent: WO2004/9597,2004,A2 .Location in patent: Page 21
[2]European Journal of Organic Chemistry,2018,vol. 2018,p. 1514 - 1524
[3]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 2121 - 2125
[4]Organic and Biomolecular Chemistry,2007,vol. 5,p. 2758 - 2761
[5]Patent: US2007/161662,2007,A1
[6]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 165
[7]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737
[8]Journal of Enzyme Inhibition and Medicinal Chemistry,2019,vol. 34,p. 87 - 96

4
[ 64-18-6 ]
[ 72816-14-9 ]
[ 650637-98-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 2121 - 2125
[2]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737

5
[ 72816-14-9 ]
C₁₈H₁₄N₁₀ [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2007,vol. 5,p. 2758 - 2761

6
[ 72816-14-9 ]
[ 650637-99-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 2121 - 2125
[2]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737

7
[ 72816-14-9 ]
[ 650637-97-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 2121 - 2125

8
[ 72816-14-9 ]
isonicotinaldehyde [1-pyridin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 2121 - 2125

9
[ 64-18-6 ]
[ 72816-14-9 ]
1-pyridin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	for 22h;Heating / reflux;	[5-AMINO-1-PYRIDIN-2-YL-1 H-PYRAZOLE-4-CARBONITRILE] (b, above) (4.30 g, 23.2 [MMOL)] was dissolved in 60 mL of formic acid and [REFLUXED] for ca. 22 h. The mixture was cooled to RT, concentrated under reduced pressure and diluted with ether. The resulting solid was collected by filtration and washed with ether to give the product as a white solid (4.71 [G,] 95 %). 'H NMR (DMSO) 6 12.40 (brs, [1H),] 8.61 [(DD,] [1 H),] 8.34 (s, [LH),] 8.17 (s, [1 H),] 8.07 [(DT,] [1] H), 7. [91 (D,] 1 H), 7.49 (dd, 1 H) ppm.

Reference： [1]Patent: WO2004/9597,2004,A2 .Location in patent: Page 21-22

10
[ 72816-14-9 ]
[ 792953-15-2 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; ethanol;	Example 28A 5-Amino-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide In analogy to the preparation of Example 15A, 2.28 g (90% of theory) of the desired product are obtained from 2.3 g (12.4 mmol) of <strong>[72816-14-9]5-amino-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile</strong> (Example 13A) in a mixture of 90 ml of ethanol, 23 ml of 30% strength hydrogen peroxide and 113 ml of 25% strength ammonia after chromatography on silica gel (mobile phase dichloromethane with 0-10% methanol). m.p.: 218 C. MS (DCI): m/z=204 (M+H)+ 1H-NMR (300 MHz, DMSO-d6): δ=7.1 (broad d, 2H), 7.3 (dd, 1H), 7.5 (s, 2H), 7.85 (d, 1H), 7.95 (s, 1H), 8.0 (dd, 1H), 8.45 (d, 1H) ppm.
	In methanol; ethanol;	EXAMPLE 30A 5-Amino-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide In analogy to the preparation of Example 16A, 2.28 g (90% of theory) of the desired product are obtained from 2.3 g (12.4 mmol) of <strong>[72816-14-9]5-amino-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile</strong> (Example 14A) in a mixture of 90 ml of ethanol, 23 ml of 30% strength hydrogen peroxide and 113 ml of 25% strength ammonia after chromatography on silica gel (mobile phase dichloromethane with 0-10% methanol). m.p.: 218 C. MS (DCI): m/z=204 (M+H)+ 1H-NMR (300 MHz, DMSO-d6): δ=7.1 (broad d, 2H), 7.3 (dd, 1H), 7.5 (s, 2H), 7.85 (d, 1H), 7.95 (s, 1H), 8.0 (dd, 1H), 8.45 (d, 1H) ppm.

Reference： [1]Patent: US2007/105876,2007,A1
[2]Patent: US2007/161662,2007,A1

11
[ 30569-52-9 ]
[ 72816-14-9 ]
[ 1186658-21-8 ]

Yield	Reaction Conditions	Operation in experiment
81.4%		13.7 Parts of Compound (17) was added to 164 parts of phosphoric acid at room temperature and dissolved by heating at an internal temperature of 60C, and the resulting solution was kept at an internal temperature of -5 to 0C by ice cooling. 5.6 Parts of sodium nitrite was added in parts while keeping the internal temperature at 5C or less, and the mixture was stirred at the same temperature for 1 hour to obtain a diazonium salt solution. Separately, 9.0 parts of Compound (14) was added to 600 parts of methanol to prepare a suspension, and the suspension was kept at an internal temperature of 5C or less by ice cooling. The diazonium salt solution obtained above was gradually added thereto while keeping the internal temperature at 5C or less, and the mixture was stirred at the same temperature for 1 hour and after removing the ice bath, stirred at room temperature for 1 hour. The precipitated crystal was separated by filtration, spray-washed with 500 parts of methanol and further thoroughly spray-washed with water. The obtained crystal was added without drying to 200 parts of methanol and 100 parts of water, and the mixture was heated with stirring at an internal temperature of 65C for 3 hours. The resulting solution was stirred under air cooling for 1 hour and thereby cooled to room temperature, and the precipitated crystal was separated by filtration and washed with 200 parts of methanol. The crystal was dried at room temperature for 12 hours to obtain 17.9 parts of Pigment (2)-43 of the present invention. Yield: 81.4%. Fig. 2 shows the infrared absorption spectrum (KBr method) of Pigment (2)-43.
		(9) Synthesis of Pig.-11: 1.3 g of (E) synthesized in Section (4) was added to 15 g (or mL) of phosphoric acid at room temperature, and dissolved by warming the reaction system to an internal temperature of 60C. The solution was maintained at an internal temperature of -5 to 0C under cooling with ice, and 0.5 g of sodium nitrite was gradually added thereto, followed by stirring at the same temperature for I hour to obtain a diazonium salt solution. Then, 0.9 g of Cp-6 was suspended in 40 mL of methanol, to which the above-adjusted diazonium salt solution was added dropwise at an internal temperature of 5C or lower. After being stirred at the same temperature for 1 hour, an ice bath was removed and the reaction solution was further stirred at room temperature for 1 hour. Then, the precipitated crystals were separated by filtration, washed with 50 mL of methanol, and further washed with 100 mL of water. The resulting crystals were added without drying to 20 mL of methanol and 10 mL of water, and an internal temperature was elevated to 65C, followed by stirring under heating at the same temperature for 3 hours. Thereafter, the reaction solution was stirred for 1 hour under air cooling, and the crystals precipitated at room temperature were filtered and washed with 30 mL of methanol. The resulting crystals were dried at room temperature for 12 hours, and then at 50C for 6 hours to obtain 1.8 g of Pig.-11 as the specific example of the present invention. An infrared absorption spectrum (KBr method) of Pig.-11 is shown in Fig. 6.

Reference： [1]Patent: EP2253673,2010,A1 .Location in patent: Page/Page column 38; 39
[2]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 168

12
[ 67-52-7 ]
[ 72816-14-9 ]
[ 1186658-05-8 ]

Yield	Reaction Conditions	Operation in experiment
		(6) Synthesis of Pig.-5: 2.9 g of (E) synthesized in Section (4) was added to 35 mL of phosphoric acid at room temperature, and dissolved by warming the reaction system to an internal temperature of 60C. The solution was maintained at an internal temperature of -5 to 0C under cooling with ice, and 1.2 g of sodium nitrite was gradually added thereto, followed by stirring at the same temperature for 1 hour to obtain a diazonium salt solution. Then, 2.7 g of Pig.-5 was obtained in the same manner as in Synthesis Example 1-(3) except that Cp-1 was changed to Cp-3. An infrared absorption spectrum (KBr method) of Pig.-5 is shown in Fig 3.

Reference： [1]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 165-166

13
[ 72816-14-9 ]
[ 93846-05-0 ]
[ 1186658-16-1 ]

Yield	Reaction Conditions	Operation in experiment
		(8) Synthesis of Pig.-10: 1.4 g of (E) synthesized in Section (4) was added to 17 mL of phosphoric acid at room temperature, and dissolved by warming the reaction system to an internal temperature of 60C. The solution was maintained at an internal temperature of -5 to 0C under cooling with ice, and 0.6 g of sodium nitrite was gradually added thereto, followed by stirring at the same temperature for 1 hour to obtain a diazonium salt solution. Then, 1.0 g of Cp-5 was suspended in 50 mL of methanol, to which the above-adjusted diazonium salt solution was added dropwise at an internal temperature of 5C or lower. After being stirred at the same temperature for 1 hour, an ice bath was removed and the reaction solution was further stirred at room temperature for 1 hour. Then, the precipitated crystals were separated by filtration, washed with 50 mL of methanol, and further washed with 100 mL of water. The resulting crystals were added without drying to 20 mL of methanol and 10 mL of water, and an internal temperature was elevated to 65C, followed by stirring under heating at the same temperature for 3 hours. Thereafter, the reaction solution was stirred for 1 hour under air cooling, and the crystals precipitated at room temperature were filtered and washed with 30 mL of methanol. The resulting crystals were dried at room temperature for 12 hours, and then at 50C for 6 hours to obtain 1.6 g of Pig.-10 as the specific example of the present invention. An infrared absorption spectrum (KBr method) of Pig.-10 is shown in Fig. 5.

Reference： [1]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 167

14
[ 942-32-5 ]
[ 72816-14-9 ]
[ 1186658-09-2 ]

Yield	Reaction Conditions	Operation in experiment
		(7) Synthesis of Pig.-9: 1.2 g of (E) synthesized in Section (4) was added to 14 mL of phosphoric acid at room temperature, and dissolved by warming the reaction system to an internal temperature of 60C. The solution was maintained at an internal temperature of -5 to 0C under cooling with ice, and 0.5 g of sodium nitrite was gradually added thereto, followed by stirring at the same temperature for 1 hour to obtain a diazonium salt solution. Then, 1.0 g of Cp-4 was suspended in 30 mL of methanol, to which the above-adjusted diazonium salt solution was added dropwise at an internal temperature of 5C or lower. After being stirred at the same temperature for 1 hour, the ice bath was removed and the reaction solution was further stirred at room temperature for 1 hour. Then, the precipitated crystals were separated by filtration, washed with 50 mL of methanol, and further washed with 100 mL of water. The resulting crystals were added without drying to 50 mL of methanol and 25 mL of water, and an internal temperature was elevated to 65C, followed by stirring under heating at the same temperature for 3 hours. Thereafter, the reaction solution was stirred for 1 hour under air cooling, and the crystals precipitated at room temperature were filtered and washed with 50 mL of methanol. The resulting crystals were dried at room temperature for 12 hours, and then at 50C for 6 hours to obtain 1.9 g of Pig.-9 as the specific example of the present invention. An infrared absorption spectrum (KBr method) of Pig.-9 is shown in Fig. 4.

Reference： [1]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 166-167

15
[ 74089-34-2 ]
[ 72816-14-9 ]
[ 1186658-01-4 ]

Yield	Reaction Conditions	Operation in experiment
		(5) Synthesis of Pig.-3: 2.9 g of (E) synthesized in Section (4) was added to 35 mL of phosphoric acid at room temperature, and dissolved by warming the reaction system to an internal temperature of 60C. The solution was maintained at an internal temperature of -5 to 0C under cooling with ice, and 1.2 g of sodium nitrite was gradually added thereto, followed by stirring at the same temperature for 1 hour to obtain a diazonium salt solution. Then, 3.5 g of Cp-2 was added to 120 mL of methanol to prepare a suspension to which the above diazonium salt solution was then added dropwise at 4C, followed by stirring at a temperature of 5 to 10C for 4 hours. The precipitated powder was separated by filtration and washed with 100 mL of methanol. The powder was added to 200 mL of water, and an excess of the acid was neutralized with sodium hydrogen carbonate. The reaction solution was then filtered to obtain a crude pigment Pig-3. The crude pigment was added to 30 mL of N,N-dimethylacetamide, followed by aging under heating at 85C for 2 hours. The aged solution was filtered under heating, and further washed with 100 mL of methanol to obtain 2.6 g of Pig.-3. An infrared absorption spectrum (KBr method) of Pig.-3 is shown in Fig. 2.

Reference： [1]Patent: EP2264105,2010,A1 .Location in patent: Page/Page column 165

16
[ 72816-14-9 ]
C₁₄H₁₅N₇ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737

17
[ 72816-14-9 ]
C₁₉H₂₃N₇O₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737

18
[ 72816-14-9 ]
C₂₁H₂₁N₇O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737
[2]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1732 - 1737

19
C₂₂H₁₇N₈O₉S₄^(3-)*3Na⁽¹⁺⁾ [ No CAS ]
[ 72816-14-9 ]
C₃₁H₂₁N₁₄O₉S₄^(3-)*3Na⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
11.3 g		To 2.5 g of isothiazole (a-4), 30 mL of phosphoric acid was added and stirred at room temperature,The reaction solution was cooled to an internal temperature of 0 C.,While maintaining the internal temperature at 0 - 4 C, a 25% aqueous solution of sodium nitrite (0.97 g) was added dropwise and the mixture was stirred for 1 hour at an internal temperature of 0 - 5 C. Thereafter, 0.24 g of sulfamic acid was added and stirred for 10 minutes to obtain a diazonium salt solution. Separately from the diazonium salt solution, 60 mL of water and 40 mL of methanol were added to the intermediate (b-1), and the solution was cooled to 0 C. at room temperature, and then the diazonium salt solution prepared above was added dropwise. The temperature of the reaction solution was raised to room temperature, 700 ml of isopropanol was added dropwise, and the precipitated crystals were filtered. And dried at 40 C. for 12 hours to obtain 11.3 g of (c-4)

Reference： [1]Patent: JP2016/89113,2016,A .Location in patent: Paragraph 0166-0168

20
[ 72816-14-9 ]
C₁₈H₁₂N₁₀O₂ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2018,vol. 2018,p. 1514 - 1524

21
[ 72816-14-9 ]
7-(pyridin-2-yl)-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2018,vol. 2018,p. 1514 - 1524
[2]Journal of Enzyme Inhibition and Medicinal Chemistry,2019,vol. 34,p. 87 - 96

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
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P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
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P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 72816-14-9 ] {[proInfo.proName]}

Quality Control of [ 72816-14-9 ]

Related Doc. of [ 72816-14-9 ]

Product Details of [ 72816-14-9 ]

Calculated chemistry of [ 72816-14-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 72816-14-9 ]

Application In Synthesis of [ 72816-14-9 ]

[ 72816-14-9 ] Synthesis Path-Upstream 1~1

[ 72816-14-9 ] Synthesis Path-Downstream 1~21

Related Functional Groups of [ 72816-14-9 ]

Amines

Nitriles

Related Parent Nucleus of [ 72816-14-9 ]

Pyrazoles

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 72816-14-9 ]

Related Parent Nucleus of
[ 72816-14-9 ]